TTT-3002 - Moligand™ , Inhibitor of fms related receptor tyrosine kinase 3;Inhibitor of leucine rich repeat kinase 2, CAS No.T614576, Inhibitor of fms related receptor tyrosine kinase 3;Inhibitor of leucine rich repeat kinase 2

CAS: T614576 Cat. No.: T614576 PubChem CID: 92136143

GRADE & PURITY Moligand™

Synonyms

TTT3002

Storage

Room temperature

Specifications

Synonyms

TTT3002

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of fms related receptor tyrosine kinase 3;Inhibitor of leucine rich repeat kinase 2

Names and Identifiers

• Canonical Smiles: CNC(=O)[C@@]1(N)C[C@@H]2O[C@@]1(C)n1c3ccccc3c3c1c1n2c2ccccc2c1c1c3CNC1=O
• InChIKey: DCAYZGCTSXLIHO-FYCNXDEQSA-N
• INCHI: 1S/C27H23N5O3/c1-26-27(28,25(34)29-2)11-18(35-26)31-16-9-5-3-7-13(16)20-21-15(12-30-24(21)33)19-14-8-4-6-10-17(14)32(26)23(19)22(20)31/h3-10,18H,11-12,28H2,1-2H3,(H,29,34)(H,30,33)/t18-,26+,27-/m0/s1
• Isomeric SMILES: C[C@]12[C@](C[C@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(C(=O)NC)N
• PubChem CID: 92136143

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Carbazoles
        • Level5 Pyrrolocarbazoles
          • Level6 Indolocarbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Pyrrolocarbazoles
• Direct Parent: Indolocarbazoles
• Alternative Parents: Pyrrolo[2,3-a]carbazoles Alpha amino acid amides Pyrroloindoles Isoindolones Indoles Benzenoids Tetrahydrofurans Heteroaromatic compounds Pyrroles Lactams Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Monoalkylamines Organic oxides Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolocarbazole - Pyrrolo[2,3-a]carbazole - Alpha-amino acid amide - Pyrroloindole - Alpha-amino acid or derivatives - Isoindolone - Isoindole or derivatives - Isoindoline - Indole - Benzenoid - Tetrahydrofuran - Pyrrole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Lactam - Carboxylic acid derivative - Oxacycle - Azacycle - Primary amine - Amine - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indolocarbazoles. These are polycyclic aromatic compounds containing an indole fused to a carbazole.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

FLT3 Tclin Receptor-type tyrosine-protein kinase FLT3 (0 Activities)

Discover Target: FLT3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

LRRK2 Tchem Leucine-rich repeat serine/threonine-protein kinase 2 (0 Activities)

Discover Target: LRRK2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)